SCHEMBL21784013

SCHEMBL21784013

CCC(C)c1nc(-c2ccccc2)cs1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
KMT2A Q03164 7/20 0.46
MEN1 O00255 6/20 0.46
NPC1 O15118 5/20 0.46
RAB9A P51151 5/20 0.46
MAPT P10636 5/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
LMNA P02545 3/20 0.46
KDM4E B2RXH2 2/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
CYP3A4 P08684 1/20 0.46
SREBF2 Q12772 2/20 0.46
STAT1 P42224 1/20 0.46
LOXL2 Q9Y4K0 1/20 0.45
CD74 P04233 1/20 0.44
MIF P14174 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
AR P10275 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2754043 0.82 ALDH1A1 (0.55) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL3705961 0.81 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL4583617 0.79 ALDH1A1 (0.56) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL10052165 0.79 KMT2A (0.58) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL11697020 0.79 ALDH1A1 (0.52) ALDH1A1KMT2AMEN1NPC1RAB9A
Hydrochloric Acid SCHEMBL7504446 0.78 ALDH1A1 (0.55) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL13894473 0.75 ALDH1A1 (0.55) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL21495107 0.74 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL3699398 0.74 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL7705461 0.74 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1NPC1RAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10959986-B2 Inhibitors of indoleamine 2,3-dioxygenase and methods of their use BRISTOL-MYERS SQUIBB COMPANY (US) 2021-03-30 US disclosed
US-20200069646-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE BRISTOL MYERS SQUIBB CO (US) 2020-03-05 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10959986-B2 Inhibitors of indoleamine 2,3-dioxygenase and methods of their use IDO1, IDO2, INMT ALDH1A1 952/4885KMT2A 608/4885MEN1 2860/4885
US-20200069646-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE IDO1, IDO2, INMT ALDH1A1 952/4885KMT2A 608/4885MEN1 2860/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.